1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C14H18N6O2 — CID 154837315

IUPAC1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESO=C(NCc1nnc(C2CC2)o1)NC1CCCc2cn[nH]c21
InChIInChI=1S/C14H18N6O2/c21-14(15-7-11-18-20-13(22-11)8-4-5-8)17-10-3-1-2-9-6-16-19-12(9)10/h6,8,10H,1-5,7H2,(H,16,19)(H2,15,17,21)
InChIKeyCDBZKJIGPCXJCJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.55
Rot. Bonds4

About 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 154837315) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID154837315
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESO=C(NCc1nnc(C2CC2)o1)NC1CCCc2cn[nH]c21
InChIInChI=1S/C14H18N6O2/c21-14(15-7-11-18-20-13(22-11)8-4-5-8)17-10-3-1-2-9-6-16-19-12(9)10/h6,8,10H,1-5,7H2,(H,16,19)(H2,15,17,21)
InChIKeyCDBZKJIGPCXJCJ-UHFFFAOYSA-N
XLogP1.55
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 154837315) is 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is O=C(NCc1nnc(C2CC2)o1)NC1CCCc2cn[nH]c21.
What is the InChIKey of 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is CDBZKJIGPCXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c21-14(15-7-11-18-20-13(22-11)8-4-5-8)17-10-3-1-2-9-6-16-19-12(9)10/h6,8,10H,1-5,7H2,(H,16,19)(H2,15,17,21).
What are the key properties of 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 302.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 154837315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).